Benzene-d6 - also: hexadeuterobenzene - is an isotopologue of the aromatic hydrocarbon benzene, in whose molecule all H atoms have been replaced by deuterium atoms D (= hydrogen-2, 2H).
Systematic name
1,2,3,4,5,6-Hexadeuteriobenzene
Other names, synonyms
Hexadeuterobenzene; Perdeuterobenzene; 2H6-Benzene
Molecular formula and structural formula of Benzene-d6:
C6D6 or C62H6
Mr = 84.1506 g/mol
1,2,3,4,5,6-Hexadeuteriobenzene
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]
In its pure state and under standard conditions, benzene-D6 is a clear, water-insoluble liquid that has the characteristic benzene odor.
Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.
Mass-related elemental composition and isotope proportions of the compound Benzene-d6 - C6D6 - calculated based on molecular mass.
*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.
The molar mass is M = 84.15061066866 grams per mole.
The amount of substance in one kilogram of the substance is n = 11.883 mol.
The amount of substance in one gram of the substance is n = 0.012 mol.
Monoisotopic mass: 72 Da - related to 12C6.
Deuterated benzene is a proton-free solvent used in NMR spectroscopy.
(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.
Signal word: Danger
GHS hazard statements (H phrases):
Labeling in the EU: See ECHA Substance Infocard 100.012.784.
The table below lists producers and suppliers of Benzene-d6 as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.
[0] - Specialist and research articles in scientific journals via PubMed: Benzene-d6.
[1] - W. I. F. David, R. M. Ibberson, A. Jeffrey, J. R.Ruble:
The crystal structure analysis of deuterated benzene and deuterated nitromethane by pulsed-neutron powder diffraction: a comparison with single crystal neutron diffraction analysis.
In: Physica B: Condensed Matter, (1992), DOI 10.1016/0921-4526(92)90406-I.
Last update: 2024-08-31
Perma link: https://www.chemlin.org/chemical-compound/Benzene-d6.php
© 1996 - 2026 ChemLin